2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium

C32H69N4+ — CID 11273820

IUPAC2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCN=C(N)N
InChIInChI=1S/C32H69N4/c1-4-6-8-10-12-14-16-18-20-22-24-26-29-36(3,31-28-35-32(33)34)30-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-31H2,1-3H3,(H4,33,34,35)/q+1
InChIKeyAWWWRTKYKZXQQF-UHFFFAOYSA-N
MW509.93 g/mol
LogP9.11
Rot. Bonds29

About 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium

2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium (PubChem CID 11273820) has the molecular formula C32H69N4+ and a molecular weight of 509.93 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium.

Molecular Properties

Compound Name2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium
PubChem CID11273820
Molecular FormulaC32H69N4+
Molecular Weight509.93 g/mol
Exact Mass509.55
IUPAC Name2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCN=C(N)N
InChIInChI=1S/C32H69N4/c1-4-6-8-10-12-14-16-18-20-22-24-26-29-36(3,31-28-35-32(33)34)30-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-31H2,1-3H3,(H4,33,34,35)/q+1
InChIKeyAWWWRTKYKZXQQF-UHFFFAOYSA-N
XLogP9.11
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.93
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(diaminomethylideneamino)ethyl-dihexadecyl-methylazanium chloride
CID 87122542
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide
CID 138397177
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
triheptyl(methyl)azanium hydroxide
CID 87534234
methyl(trioctyl)azanium;hydrochloride
CID 174428259
trihexyl(methyl)azanium iodide
CID 87252050
butyl-dodecyl-methyl-octylazanium
CID 71382086
azane;methyl-tri(tetradecyl)azanium
CID 172739350

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium?
The IUPAC name of 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium (CID 11273820) is 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium.
What is the SMILES notation for 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium?
The canonical SMILES for 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium is CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium?
The InChIKey is AWWWRTKYKZXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H69N4/c1-4-6-8-10-12-14-16-18-20-22-24-26-29-36(3,31-28-35-32(33)34)30-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-31H2,1-3H3,(H4,33,34,35)/q+1.
What are the key properties of 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium?
2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium has a molecular weight of 509.93 g/mol, XLogP of 9.11, 29 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium is sourced from PubChem (CID 11273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).